2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid

C13H26N2O2 — CID 79407898

IUPAC2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
SMILESCC(C)CN1CCN(C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-14-5-7-15(8-6-14)12(4)11(3)13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyXZIKRXHRLLKVHI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid

2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid (PubChem CID 79407898) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
PubChem CID79407898
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
SMILESCC(C)CN1CCN(C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-14-5-7-15(8-6-14)12(4)11(3)13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyXZIKRXHRLLKVHI-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutanoic acid
CID 79407238
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutanoic acid
CID 79413725
3-(4-butan-2-ylpiperazin-1-yl)-2-methylbutanoic acid
CID 79407769
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)butanoic acid
CID 79406804
3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
CID 79407467
2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62777323
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63572637

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid (CID 79407898) is 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid is CC(C)CN1CCN(C(C)C(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid?
The InChIKey is XZIKRXHRLLKVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-14-5-7-15(8-6-14)12(4)11(3)13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid?
2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 79407898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).